1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride

C13H24Cl2N2O — CID 171295119

IUPAC1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride
SMILESCCc1ccc([C@@H](CC)N2CCNCC2)o1.Cl.Cl
InChIInChI=1S/C13H22N2O.2ClH/c1-3-11-5-6-13(16-11)12(4-2)15-9-7-14-8-10-15;;/h5-6,12,14H,3-4,7-10H2,1-2H3;2*1H/t12-;;/m1../s1
InChIKeyFIQDYFIQGPWRCP-CURYUGHLSA-N
MW295.25 g/mol
LogP3.04
Rot. Bonds4

About 1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride

1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride (PubChem CID 171295119) has the molecular formula C13H24Cl2N2O and a molecular weight of 295.25 g/mol. Its IUPAC name is 1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride
PubChem CID171295119
Molecular FormulaC13H24Cl2N2O
Molecular Weight295.25 g/mol
Exact Mass294.13
IUPAC Name1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride
SMILESCCc1ccc([C@@H](CC)N2CCNCC2)o1.Cl.Cl
InChIInChI=1S/C13H22N2O.2ClH/c1-3-11-5-6-13(16-11)12(4-2)15-9-7-14-8-10-15;;/h5-6,12,14H,3-4,7-10H2,1-2H3;2*1H/t12-;;/m1../s1
InChIKeyFIQDYFIQGPWRCP-CURYUGHLSA-N
XLogP3.04
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171282505
1-[(S)-cyclohexyl-(5-ethylfuran-2-yl)methyl]piperazine
CID 171282516
1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride
CID 171282638
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
1-[(5-ethylfuran-2-yl)methyl]piperazine
CID 62346737
[5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol
CID 171304772
1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride
CID 171276189
1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171295142
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
[5-[(1R)-1-piperazin-1-ylethyl]furan-2-yl]methanol
CID 131424921
2-(5-ethylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 62346543

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride (CID 171295119) is 1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride is CCc1ccc([C@@H](CC)N2CCNCC2)o1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride?
The InChIKey is FIQDYFIQGPWRCP-CURYUGHLSA-N. The full InChI is InChI=1S/C13H22N2O.2ClH/c1-3-11-5-6-13(16-11)12(4-2)15-9-7-14-8-10-15;;/h5-6,12,14H,3-4,7-10H2,1-2H3;2*1H/t12-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride?
1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride has a molecular weight of 295.25 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 171295119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).